Bioactive Compound Details

BioIDbio666
NameZIZIMAURITIC ACID C
ChEMBL IDCHEMBL2151977
Molecular FormulaC29H42O5
Molecular Weight470.65
Molecular Weight (Monoisotopic)470.3032
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsZizimauritic Acid C
SmilesCC(C)=C[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)C=CC(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C(=O)O)CC[C@@]12CC(O)OC2=O
InchiInChI=1S/C29H42O5/c1-17(2)15-19-18-7-8-21-26(5)12-11-25(3,4)20(26)9-10-27(21,6)29(18,23(31)32)14-13-28(19)16-22(30)34-24(28)33/h11-12,15,18-22,30H,7-10,13-14,16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22?,26+,27-,28-,29-/m1/s1
Inchi KeyHSWHHIVUFILTFY-NKMSWGSJSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score2.75
Records Key['3, epimeric mixture']
Records Name['Zizimauritic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure